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小木蟲論壇-學術科研互動平臺 » 材料區(qū) » 晶體 » 晶體軟件 » topos4.0晶體拓撲類型計算的問題
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cheap_81鐵桿木蟲 (著名寫手)
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[求助]
topos4.0晶體拓撲類型計算的問題
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我輸入cif文件以后用ADS來計算，結果如下，簡化節(jié)點后也是同樣的情況。這是為什么？謝謝了 Structure consists of molecules (ZD1). The composition of molecule is H Structure consists of molecules (ZD2). The composition of molecule is H Structure consists of molecules (ZD3). The composition of molecule is H Structure consists of molecules (ZD4). The composition of molecule is H Structure consists of molecules (ZD5). The composition of molecule is H Structure consists of molecules (ZD6). The composition of molecule is H Structure consists of molecules (ZD7). The composition of molecule is H Structure consists of molecules (ZD8). The composition of molecule is H Structure consists of molecules (ZE1). The composition of molecule is C Structure consists of molecules (ZE2). The composition of molecule is C Structure consists of molecules (ZE3). The composition of molecule is C Structure consists of molecules (ZE4). The composition of molecule is C Structure consists of molecules (ZE5). The composition of molecule is C Structure consists of molecules (ZE6). The composition of molecule is C Structure consists of molecules (ZE7). The composition of molecule is C Structure consists of molecules (ZE8). The composition of molecule is C Structure consists of molecules (ZE9). The composition of molecule is C Structure consists of molecules (ZE10). The composition of molecule is C Structure consists of molecules (ZE11). The composition of molecule is C Structure consists of molecules (ZE12). The composition of molecule is C Structure consists of molecules (ZF1). The composition of molecule is N Structure consists of molecules (ZF2). The composition of molecule is N Structure consists of molecules (ZG1). The composition of molecule is O Structure consists of molecules (ZG2). The composition of molecule is O Structure consists of molecules (ZG3). The composition of molecule is O Structure consists of molecules (ZG4). The composition of molecule is O Structure consists of molecules (ZH1). The composition of molecule is Zn Topology for ZD1 -------------------- Atom ZD1 doesn't link with bridge molecular ligands Topology for ZD2 -------------------- Atom ZD2 doesn't link with bridge molecular ligands Topology for ZD3 -------------------- Atom ZD3 doesn't link with bridge molecular ligands Topology for ZD4 -------------------- Atom ZD4 doesn't link with bridge molecular ligands Topology for ZD5 -------------------- Atom ZD5 doesn't link with bridge molecular ligands Topology for ZD6 -------------------- Atom ZD6 doesn't link with bridge molecular ligands Topology for ZD7 -------------------- Atom ZD7 doesn't link with bridge molecular ligands Topology for ZD8 -------------------- Atom ZD8 doesn't link with bridge molecular ligands Topology for ZE1 -------------------- Atom ZE1 doesn't link with bridge molecular ligands Topology for ZE2 -------------------- Atom ZE2 doesn't link with bridge molecular ligands Topology for ZE3 -------------------- Atom ZE3 doesn't link with bridge molecular ligands Topology for ZE4 -------------------- Atom ZE4 doesn't link with bridge molecular ligands Topology for ZE5 -------------------- Atom ZE5 doesn't link with bridge molecular ligands Topology for ZE6 -------------------- Atom ZE6 doesn't link with bridge molecular ligands Topology for ZE7 -------------------- Atom ZE7 doesn't link with bridge molecular ligands Topology for ZE8 -------------------- Atom ZE8 doesn't link with bridge molecular ligands Topology for ZE9 -------------------- Atom ZE9 doesn't link with bridge molecular ligands Topology for ZE10 -------------------- Atom ZE10 doesn't link with bridge molecular ligands Topology for ZE11 -------------------- Atom ZE11 doesn't link with bridge molecular ligands Topology for ZE12 -------------------- Atom ZE12 doesn't link with bridge molecular ligands Topology for ZF1 -------------------- Atom ZF1 doesn't link with bridge molecular ligands Topology for ZF2 -------------------- Atom ZF2 doesn't link with bridge molecular ligands Topology for ZG1 -------------------- Atom ZG1 doesn't link with bridge molecular ligands Topology for ZG2 -------------------- Atom ZG2 doesn't link with bridge molecular ligands Topology for ZG3 -------------------- Atom ZG3 doesn't link with bridge molecular ligands Topology for ZG4 -------------------- Atom ZG4 doesn't link with bridge molecular ligands Topology for ZH1 -------------------- Atom ZH1 doesn't link with bridge molecular ligands ------------------------- Structural group analysis ------------------------- ------------------------- Structural group No 1 ------------------------- Structure consists of molecular complex groups ZD ------------------------- Structural group No 2 ------------------------- Structure consists of molecular complex groups ZD ------------------------- Structural group No 3 ------------------------- Structure consists of molecular complex groups ZD ------------------------- Structural group No 4 ------------------------- Structure consists of molecular complex groups ZD ------------------------- Structural group No 5 ------------------------- Structure consists of molecular complex groups ZD ------------------------- Structural group No 6 ------------------------- Structure consists of molecular complex groups ZD ------------------------- Structural group No 7 ------------------------- Structure consists of molecular complex groups ZD ------------------------- Structural group No 8 ------------------------- Structure consists of molecular complex groups ZD ------------------------- Structural group No 9 ------------------------- Structure consists of molecular complex groups ZE ------------------------- Structural group No 10 ------------------------- Structure consists of molecular complex groups ZE ------------------------- Structural group No 11 ------------------------- Structure consists of molecular complex groups ZE ------------------------- Structural group No 12 ------------------------- Structure consists of molecular complex groups ZE ------------------------- Structural group No 13 ------------------------- Structure consists of molecular complex groups ZE ------------------------- Structural group No 14 ------------------------- Structure consists of molecular complex groups ZE ------------------------- Structural group No 15 ------------------------- Structure consists of molecular complex groups ZE ------------------------- Structural group No 16 ------------------------- Structure consists of molecular complex groups ZE ------------------------- Structural group No 17 ------------------------- Structure consists of molecular complex groups ZE ------------------------- Structural group No 18 ------------------------- Structure consists of molecular complex groups ZE ------------------------- Structural group No 19 ------------------------- Structure consists of molecular complex groups ZE ------------------------- Structural group No 20 ------------------------- Structure consists of molecular complex groups ZE ------------------------- Structural group No 21 ------------------------- Structure consists of molecular complex groups ZF ------------------------- Structural group No 22 ------------------------- Structure consists of molecular complex groups ZF ------------------------- Structural group No 23 ------------------------- Structure consists of molecular complex groups ZG ------------------------- Structural group No 24 ------------------------- Structure consists of molecular complex groups ZG ------------------------- Structural group No 25 ------------------------- Structure consists of molecular complex groups ZG ------------------------- Structural group No 26 ------------------------- Structure consists of molecular complex groups ZG ------------------------- Structural group No 27 ------------------------- Structure consists of molecular complex groups ZH Elapsed time: 6.99 sec. |
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